The dataset aims to (near-)completely describe potential energy surfaces of dipeptides at the density functional theory (DFT) level. Knowledge of this energy surface is important, for example, for sol

DataCite Commons2022-08-09 更新90

Investigation into the Effect of Crystallographic Orientation on the Observed Kinetic Energy of the Atoms in Alkali Metal Iodides

晶体取向效应

中子俘获动力学

Neutron capture analysis allows for the measurement of the mean kinetic energy of the nucleus prior to capture. This technique can give insight into motion of atoms as well as providing additional inf

DataCite Commons2020-07-30 更新50

SF44b-Potential_angular_dependence

能量分布方向依赖性

各向异性分析

Energy profile obtained for sites with different orientations along z-axis; as presented in the Supporting Figure S24

Figshare2020-12-19 更新30